The structure of the cyclooctadecane ring system. 1,10-Cyclooctadecanedione (cas 13747-10-9)

Add time:09/08/2019    Source:sciencedirect.com

The crystal structure of the title compound was determined by X-ray crystallography and solved by direct methods; the molecule has C2h symmetry. The carbon atoms are arranged in a diamondoid lattice, but not of the rectangular type that might have been expected. The dipole moment for the conformation found in the crystal is zero, while the observed dipole moment of the compound in solution is 2.78 D. Molecular mechanics calculations were carried out on several of the large number of possible conformation. Of those studied, the conformation found in the crystal had the lowest energy.

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